Emd 55450 | CAS#126657-82-7 | renin antagonist

MedKoo Cat#: 597959 | Name: Emd 55450

Description:

WARNING: This product is for research use only, not for human or veterinary use.

Emd 55450 is an analog of EMD 55068 with terminal amino group blocked by benzyloxycarbonyl group; a synthetic renin antagonist.

Chemical Structure

Emd 55450

CAS#126657-82-7

Theoretical Analysis

MedKoo Cat#: 597959

Name: Emd 55450

CAS#: 126657-82-7

Chemical Formula: C49H71N9O8

Exact Mass: 913.5426

Molecular Weight: 914.16

Elemental Analysis: C, 64.38; H, 7.83; N, 13.79; O, 14.00

Price and Availability

This product is currently not in stock but may be available through custom synthesis. To ensure cost efficiency, the minimum order quantity is 1 gram. The estimated lead time is 2 to 4 months, with pricing dependent on the complexity of the synthesis (typically high for intricate chemistries). Quotes for quantities below 1 gram will not be provided. To request a quote, please click the button below. Note: If this product becomes available in stock in the future, pricing will be listed accordingly.

Bulk Inquiry

Related CAS #

No Data

Synonym

Emd 55450; Emd-55450; Emd55450;

IUPAC/Chemical Name

benzyl ((4S,8S,9S,15S)-1-(3-amino-5,6-dimethylpyrazin-2-yl)-15-benzyl-4-((S)-sec-butyl)-9-(cyclohexylmethyl)-8-hydroxy-3,6,11,14,17-pentaoxo-2,5,10,13,16-pentaazadocosan-22-yl)carbamate

InChi Key

HHGJXWXMIPQAKO-XJSDINBQSA-N

InChi Code

InChI=1S/C49H71N9O8/c1-5-32(2)45(48(64)52-29-40-46(50)55-34(4)33(3)54-40)58-43(61)28-41(59)38(26-35-18-10-6-11-19-35)56-44(62)30-53-47(63)39(27-36-20-12-7-13-21-36)57-42(60)24-16-9-17-25-51-49(65)66-31-37-22-14-8-15-23-37/h7-8,12-15,20-23,32,35,38-39,41,45,59H,5-6,9-11,16-19,24-31H2,1-4H3,(H2,50,55)(H,51,65)(H,52,64)(H,53,63)(H,56,62)(H,57,60)(H,58,61)/t32-,38-,39-,41-,45-/m0/s1

SMILES Code

O[C@H]([C@@H](NC(CNC([C@@H](NC(CCCCCNC(OCc1ccccc1)=O)=O)Cc2ccccc2)=O)=O)CC3CCCCC3)CC(N[C@@H]([C@H](CC)C)C(NCc4nc(C)c(C)nc4N)=O)=O

Appearance

Solid powder

Purity

>98% (or refer to the Certificate of Analysis)

Shipping Condition

Shipped under ambient temperature as non-hazardous chemical. This product is stable enough for a few weeks during ordinary shipping and time spent in Customs.

Storage Condition

Dry, dark and at 0 - 4 C for short term (days to weeks) or -20 C for long term (months to years).

Solubility

Soluble in DMSO

Shelf Life

>3 years if stored properly

Drug Formulation

This drug may be formulated in DMSO

Stock Solution Storage

0 - 4 C for short term (days to weeks), or -20 C for long term (months).

HS Tariff Code

2934.99.03.00

More Info

Instruction

View handling instruction

Preparing Stock Solutions

The following data is based on the product molecular weight 914.16 Batch specific molecular weights may vary from batch to batch due to the degree of hydration, which will affect the solvent volumes required to prepare stock solutions.

Concentration / Solvent Volume / Mass	1 mg	5 mg	10 mg
1 mM	1.15 mL	5.76 mL	11.51 mL
5 mM	0.23 mL	1.15 mL	2.3 mL
10 mM	0.12 mL	0.58 mL	1.15 mL
50 mM	0.02 mL	0.12 mL	0.23 mL

1: Ziegler K, Sänger U. Binding proteins for linear renin-inhibiting peptides in basolateral plasma membranes of rat liver. Biochim Biophys Acta. 1992 Jan 31;1103(2):219-28. PubMed PMID: 1543706.